SCHEMBL9590729

SCHEMBL9590729

CCCCCC1CCC(CCCOc2ccc(C(=O)Oc3ccc(CCC)cc3F)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 3/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ MAPT P10636 2/20 0.42
▸ ITGB3 P05106 3/20 0.42
▸ ITGA2B P08514 3/20 0.42
▸ PRSS1 P07477 1/20 0.42
▸ ACR P10323 1/20 0.42
▸ NPC1 O15118 3/20 0.42
▸ LMNA P02545 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ KMT2A Q03164 2/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ NFKB2 Q00653 1/20 0.41
▸ RELA Q04206 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ RAB9A P51151 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9590718 1.00 FAAH (0.47) FAAHSMN1; SMN2MAPTITGB3ITGA2B
SCHEMBL9589405 0.96 FAAH (0.47) FAAHSMN1; SMN2MAPTITGB3ITGA2B
SCHEMBL9591171 0.96 FAAH (0.47) FAAHSMN1; SMN2MAPTITGB3ITGA2B
SCHEMBL9591165 0.96 FAAH (0.47) FAAHSMN1; SMN2MAPTITGB3ITGA2B
SCHEMBL9589416 0.96 FAAH (0.47) FAAHSMN1; SMN2MAPTITGB3ITGA2B
SCHEMBL9588581 0.95 FAAH (0.46) FAAHSMN1; SMN2MAPTITGB3ITGA2B
SCHEMBL9591044 0.95 FAAH (0.46) FAAHSMN1; SMN2MAPTITGB3ITGA2B
SCHEMBL9592395 0.95 FAAH (0.46) FAAHSMN1; SMN2MAPTITGB3ITGA2B
SCHEMBL9591306 0.95 FAAH (0.46) FAAHSMN1; SMN2MAPTITGB3ITGA2B
SCHEMBL9591927 0.95 FAAH (0.46) FAAHSMN1; SMN2MAPTITGB3ITGA2B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5238600-A IBIMETHYLENOXY CONTAINING LIQUID CRYSTAL COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 1993-08-24 — — US disclosed
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